4-[[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)carbonyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)carbonyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-oxomethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1C(OC2=CC=CC=C2O1)C(=O)N3CCCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H25N3O3/c1-17-22(29-21-6-3-2-5-20(21)28-17)23(27)26-12-4-11-25(13-14-26)16-19-9-7-18(15-24)8-10-19/h2-3,5-10,17,22H,4,11-14,16H2,1H3